Vitas-M small molecule compound
methyl (2E)-2-[(4-tert-butylphenyl)sulfonyl]-3-[(4-fluorophenyl)amino]prop-2-enoate
Catalog ID
STL133291
SMILES COC(=O)/C(=C\Nc1ccc(cc1)F)/S(=O)(=O)c1ccc(cc1)C(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H22FNO4S MW 391.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FNO4S/c1-20(2,3)14-5-11-17(12-6-14)27(24,25)18(19(23)26-4)13-22-16-9-7-15(21)8-10-16/h5-13,22H,1-4H3/b18-13+InChIKey
CTZAGNGSAWKNRN-QGOAFFKASA-NSynonyms
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=C(C=C2)F)C(=O)OC
COC(=O)C(=CNc1ccc(cc1)F)S(=O)(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC20H22FNO4Sc120(23)1451117(12614)27(2425)18(19(23)264)1322169715(21)81016h51322H14H3b1813+
methyl(2E)2((4tertbutylphenyl)sulfonyl)3((4fluorophenyl)amino)prop2enoate
methyl(E)2(4tertbutylphenyl)sulfonyl3(4fluoroanilino)prop2enoate
MFCD20753611
ZINC000067340438
ZINC67340438
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